Theoretical studies on structure, thermochemistry, vibrational spectroscopy, and other features of ZrX2−6(X=F,Cl,Br,I): Coulombic energy in inorganic and organic hexahalogenozirconates-Reference-Cited by-同舟云学术

Theoretical studies on structure, thermochemistry, vibrational spectroscopy, and other features of ZrX2−6(X=F,Cl,Br,I): Coulombic energy in inorganic and organic hexahalogenozirconates

Published:1994-04-15 Issue:8 Volume:100 Page:5810-5820
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Rak Janusz,Gutowski Maciej,Dokurno Pawel/,Thanh Hoan Vu,Bl/ażejowski Jerzy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.467144

Reference81 articles.

1. Analytic intermolecular potential functions from ab initio SCF calculations of interaction energies between methane, methanol, acetic acid, and acetate and water

2. Molecular packing of crystalline azahydrocarbons

3. Theoretical increments and indices for reactivity, acidity, and basicity within solid-state materials

4. The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

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